Theory study on the geometric structures and electronic properties of Pt N (n=1-5) clusters
Advanced Materials Research, ISSN: 1022-6680, Vol: 516-517, Page: 1889-1892
2012
- 1Citations
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- Citations1
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Conference Paper Description
The geometric structures of Pt N (n=1-5) clusters are optimized by the B3LYP/LANL2DZ method of density function theory, the ground state structures are obtained, and the electronic structure are studied. The results show: the N atoms gain the charge when the clusters are formed, but some Pt atoms gain the charge and other Pt atoms lose the charge. N atom and Pt atom have internal heterozygous, and the spd hybridized between Pt atoms and N atoms are increasing with cluster s' sizes. © (2012) Trans Tech Publications.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84861703382&origin=inward; http://dx.doi.org/10.4028/www.scientific.net/amr.516-517.1889; https://www.scientific.net/AMR.516-517.1889; http://www.scientific.net/AMR.516-517.1889; http://www.scientific.net/AMR.516-517.1889.pdf; https://dx.doi.org/10.4028/www.scientific.net/amr.516-517.1889
Trans Tech Publications, Ltd.
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